6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane

C18H22ClOP — CID 91091253

IUPAC6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane
SMILESCCC(P)CCCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClOP/c1-2-18(21)8-4-6-14-5-3-7-17(13-14)20-16-11-9-15(19)10-12-16/h3,5,7,9-13,18H,2,4,6,8,21H2,1H3
InChIKeyLNKWPJPXKFVZJN-UHFFFAOYSA-N
MW320.80 g/mol
LogP6.11
Rot. Bonds7

About 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane

6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane (PubChem CID 91091253) has the molecular formula C18H22ClOP and a molecular weight of 320.80 g/mol. Its IUPAC name is 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane.

Molecular Properties

Compound Name6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane
PubChem CID91091253
Molecular FormulaC18H22ClOP
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane
SMILESCCC(P)CCCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClOP/c1-2-18(21)8-4-6-14-5-3-7-17(13-14)20-16-11-9-15(19)10-12-16/h3,5,7,9-13,18H,2,4,6,8,21H2,1H3
InChIKeyLNKWPJPXKFVZJN-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.80
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093
1-chloro-4-[3-methyl-6-[3-(4-methylphenoxy)phenyl]hexan-3-yl]benzene
CID 21269895
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-propylphenoxy)benzene
CID 25223077
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane?
The IUPAC name of 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane (CID 91091253) is 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane.
What is the SMILES notation for 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane?
The canonical SMILES for 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane is CCC(P)CCCc1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane?
The InChIKey is LNKWPJPXKFVZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClOP/c1-2-18(21)8-4-6-14-5-3-7-17(13-14)20-16-11-9-15(19)10-12-16/h3,5,7,9-13,18H,2,4,6,8,21H2,1H3.
What are the key properties of 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane?
6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane has a molecular weight of 320.80 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane is sourced from PubChem (CID 91091253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).